{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2200154 -0.3263191 0.4696983 ] [ 0.6301638 -0.2465634 -0.2201161 ] [ 1.6894721 0.4739215 -0.6565686 ] [ 1.8350371 2.886987 1.4340223 ] [ -2.4075647 -1.1173913 -1.3521987 ] [ -2.0543962 -1.2685018 1.6001611 ] [ 0.0872724 -0.4021329 -1.2749982 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.525035330001635e-10 -5.228208372479093e-10 7.525396412895221e-10 ] [ 1.009633715952649e-09 -3.950381182795956e-10 -3.526648721872074e-10 ] [ 2.706832722414911e-09 7.593059536502309e-10 -1.051938869538092e-09 ] [ 2.940053564143121e-09 4.625463114061757e-09 2.297557021694938e-09 ] [ -3.857343907183219e-09 -1.790258231894884e-09 -2.166461161665176e-09 ] [ -3.29150558861839e-09 -2.032363944146941e-09 2.563740725055737e-09 ] [ 1.398258000731016e-10 -6.442879361426586e-10 -2.042772324432059e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.97549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.360643996470066e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1930015 2.2818002 4.6986771 ] [ 2.5391281 3.4204756 2.6445901 ] [ 5.062778 1.2695138 2.6537447 ] [ 4.8745601 3.5398045 3.0534494 ] [ 2.9176064 1.3442017 1.6738412 ] [ 3.1724918 0.3827277 3.8135063 ] [ 3.9291622 3.7097033 5.1313691 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1930015e-10 2.2818002e-10 4.698677100000001e-10 ] [ 2.5391281e-10 3.4204756e-10 2.6445901e-10 ] [ 5.062778e-10 1.2695138e-10 2.6537447e-10 ] [ 4.8745601e-10 3.5398045e-10 3.0534494e-10 ] [ 2.9176064e-10 1.3442017e-10 1.6738412e-10 ] [ 3.1724918e-10 3.827277e-11 3.8135063e-10 ] [ 3.9291622e-10 3.7097033e-10 5.1313691e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.45e-05 2.28e-05 -7.7e-06 ] [ 4.4e-06 -1.9e-05 1e-07 ] [ -1.59e-05 2.94e-05 2.12e-05 ] [ -8e-07 9.7e-06 2.24e-05 ] [ -1.24e-05 -7e-06 -2.2e-06 ] [ 4.4e-06 6.3e-06 1e-07 ] [ 5.7e-06 -4.22e-05 -3.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.3231561193e-14 3.65296272552e-14 -1.23367600818e-14 ] [ 7.0495771896e-15 -3.0441356046e-14 1.602176634e-16 ] [ -2.54746084806e-14 4.710399303959999e-14 3.39661446408e-14 ] [ -1.2817413072e-15 1.55411133498e-14 3.588875660159999e-14 ] [ -1.98669902616e-14 -1.1215236438e-14 -3.5247885948e-15 ] [ 7.0495771896e-15 1.00937127942e-14 1.602176634e-16 ] [ 9.1324068138e-15 -6.761185395480001e-14 -5.431378789259999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.704295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.637629094044303e-18 } }